3QND
crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-26 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.190, 108.645, 112.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.470 - 2.400 |
R-factor | 0.2234 |
Rwork | 0.221 |
R-free | 0.26349 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uxe |
RMSD bond length | 0.006 |
RMSD bond angle | 0.886 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.094 | 0.620 |
Number of reflections | 50848 | |
<I/σ(I)> | 16.7 | 3.7 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 7.3 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 26% PEG 8000, 0.05M zinc acetate, 0.1 M HEPES, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |